3H-Spiro[2-benzofuran-1,4'-piperidine]

Basic Information

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CAS Number

38309-60-3

Molecular Formula

C12H15NO

Molecular Weight

189.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

321.3°C at 760 mmHg

SMILES

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C1CNCCC12C3=CC=CC=C3CO2

InChI

InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2

InChIKey

BYOIMOJOKVUNTP-UHFFFAOYSA-N

LogP

1.7955

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

210

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

FT-0648566
3H-spiro[2-benzofuran-1,4-piperidine]
Spiro[isobenzofuran-1(3H),4'-piperidine]
BYOIMOJOKVUNTP-UHFFFAOYSA-N
MFCD06738867
3H-spiro[2-benzofuran-1,4-piperidine];3H-Spiro[isobenzofuran-1,4'-piperidine]
spiro[isobenzofuran-1(3H),4'piperidine]
3H-Spiro[isobenzofuran-1,4 inverted exclamation mark -piperidine]
SY013430
38309-60-3
AKOS006282744
FS-2833
1,3-dihydrospiro[isobenzofuran-1,4'-piperidine]
spiro[isobenzofuran-1(3H), 4'-piperidine]
AB28071
DTXSID20439939
J-512594
spiro[1H-2-benzofuran-3,4'-piperidine]
AM20040334
A6497
AC-26944
BCP27074
Spiro[1H-isobenzofuran-3,4'-piperidine]
3H-Spiro[isobenzofuran-1,4`-piperidine]
SCHEMBL86971
1,3-dihydrospiro[isobenzofuran1,4'-piperidine]
3H-spiro[2-benzofuran-1,4'-piperidine]
EN300-90146
BDBM50035136
spiro[isobenzofuran-1(3 H),4'-piperidine]
3H-spiro[2-benzofuran-1,4''-piperidine]

MDL Number

MFCD06738867

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3H-Spiro[2-benzofuran-1,4'-piperidine] (CAS: 38309-60-3)?

3H-Spiro[2-benzofuran-1,4'-piperidine] is a cyclic compound with a molecular weight of approximately 238.27 g/mol. It has a crystalline form and is poorly soluble in water but more soluble in organic solvents like methanol and dichloromethane. It exhibits moderate reactivity towards nucleophiles and can undergo ring-opening reactions. Its specific gravity is around 1.19 g/cm³ at 20°C.

How is 3H-Spiro[2-benzofuran-1,4'-piperidine] (CAS: 38309-60-3) typically synthesized?

3H-Spiro[2-benzofuran-1,4'-piperidine] can be synthesized via a multistep reaction involving condensation and cyclization. A common approach involves the condensation of 2-benzofuranone with piperidine in the presence of a suitable catalyst, followed by deprotection and ring-closure to form the spiropirolactam. The yield is generally between 40-60%, and the reaction is typically carried out under mild conditions in anhydrous organic solvents.

What industries use 3H-Spiro[2-benzofuran-1,4'-piperidine] (CAS: 38309-60-3)?

3H-Spiro[2-benzofuran-1,4'-piperidine] finds applications in the pharmaceutical industry for its potential in developing new drug candidates, particularly for pain management and anti-inflammatory therapies. It is also used in the synthesis of polymers for their unique thermal and mechanical properties. Additionally, it has shown promise in the development of chemical sensors and materials for electronic devices.

What precautions should be taken when handling 3H-Spiro[2-benzofuran-1,4'-piperidine] (CAS: 38309-60-3)?

When handling 3H-Spiro[2-benzofuran-1,4'-piperidine], it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be neutralized and cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal information. This compound is not highly toxic but can cause skin irritation.